N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H26N4OS — CID 6469650

IUPACN-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCCC2)n1C(C)C
InChIInChI=1S/C15H26N4OS/c1-11(2)19-12(3)17-18-15(19)21-10-14(20)16-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,16,20)
InChIKeyYUFHVIUTVOGQCB-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.10
Rot. Bonds5

About N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6469650) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6469650
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NC2CCCCCC2)n1C(C)C
InChIInChI=1S/C15H26N4OS/c1-11(2)19-12(3)17-18-15(19)21-10-14(20)16-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,16,20)
InChIKeyYUFHVIUTVOGQCB-UHFFFAOYSA-N
XLogP3.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6469650) is N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NC2CCCCCC2)n1C(C)C.
What is the InChIKey of N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is YUFHVIUTVOGQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-11(2)19-12(3)17-18-15(19)21-10-14(20)16-13-8-6-4-5-7-9-13/h11,13H,4-10H2,1-3H3,(H,16,20).
What are the key properties of N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 310.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6469650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).